NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3083 8.2493 123.5819 50.9643 19.7162 176.5993 7 P 4.2805 0.0000 0.0000 61.5465 31.8605 175.2867 8 D 4.7819 9.5210 123.5826 52.1091 43.9547 177.4387 9 F 4.0275 8.8530 119.6237 62.6315 39.1120 177.4287 10 H 4.4920 8.2274 114.8629 58.7585 28.4543 177.3751 11 D 4.3389 8.3771 120.1287 57.2461 40.7199 178.5946 12 K 3.8191 7.6424 117.7752 58.4577 32.4597 178.0626 13 Y 4.6742 7.9399 114.8064 57.2780 39.1326 177.7951 14 G 3.9773 7.8899 107.8691 48.4042 0.0000 175.4129 15 N 4.3482 8.1540 118.6636 55.7084 38.6326 177.3163 16 A 4.0396 7.9280 121.7403 54.8758 18.5910 179.7622 17 V 3.5927 8.0393 117.0673 65.8739 31.5830 178.0132 18 L 3.9427 8.2037 119.9698 58.1157 42.0259 178.5098 19 A 4.0243 8.1409 120.9374 55.5507 18.3020 179.8161 20 S 4.3521 8.3863 112.4353 61.0043 63.1838 176.6945 21 G 3.6816 8.3481 109.3796 47.6985 0.0000 175.0914 22 A 4.0694 8.1968 124.1706 55.2069 18.3785 179.8181 23 T 3.8702 8.0045 113.7538 66.7291 68.5636 176.6507 24 F 4.2315 8.6702 122.8069 61.4314 39.4653 176.5731 25 C 4.0565 8.4494 118.3948 62.5430 31.3381 175.4818 26 V 3.6121 7.9170 119.4526 66.0474 31.1009 177.7516 27 A 4.0254 7.9740 120.4832 55.3340 18.2225 180.0643 28 V 3.5913 7.7201 117.5122 64.4293 31.4933 178.6648 29 W 3.9853 8.3382 119.8790 59.3073 28.8540 178.5722 30 V 3.6696 8.2777 118.6304 66.2197 30.9535 177.4177 31 Y 4.0070 8.1710 119.0840 61.0276 38.4523 177.7410 32 M 3.9140 8.2219 117.7451 58.6103 32.3853 177.7651 33 A 4.7175 8.2842 120.1825 54.3032 18.7130 177.9805 34 T 4.5937 7.6177 104.2551 61.3555 70.3658 174.5688 35 Q 4.4277 8.0515 118.9276 55.3829 30.0510 175.6202 36 I 4.2213 7.7580 109.8600 60.3396 38.0574 176.0968 37 G 3.8780 8.2940 107.6943 45.5826 0.0000 173.9665 38 I 3.3590 7.3728 120.0923 61.1087 37.3691 175.1579 39 E 4.3466 8.2399 126.0900 54.5806 29.3974 175.5107 40 W 4.1614 8.7952 127.0284 57.0884 30.2460 176.0057 41 N 4.1729 8.7837 116.6163 53.9345 36.6649 170.8105 42 P 4.5771 0.0000 0.0000 61.9547 32.9307 176.4925 43 S 4.2294 8.3363 113.1716 57.8585 62.8721 172.5519 44 P 4.3475 0.0000 0.0000 64.9386 31.4890 176.9291 45 V 3.7010 7.4805 118.7148 64.1361 31.5436 175.9562 46 G 4.0257 9.0398 114.2660 45.9969 0.0000 173.9098 47 R 4.4663 8.5886 114.4723 55.4740 31.5829 175.6104 48 V 4.2193 7.6619 117.3372 61.0442 33.0647 174.8925 49 T 4.2789 8.3524 123.9960 61.8038 68.4032 172.9813 50 P 4.3984 0.0000 0.0000 62.5237 31.9974 175.9306 51 K 4.6910 8.2742 122.0508 53.9292 35.2293 175.5214 52 E 4.0300 8.8732 123.6479 56.9728 29.8284 177.1068 53 W 4.7912 7.9668 117.7905 56.9210 30.4729 175.2838 54 R 3.4098 6.6629 122.4558 56.0711 29.3312 175.7072 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 A 8.25 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.28 0.00 2.18 2.03 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 8 D 9.52 4.78 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.85 4.03 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.23 4.49 0.00 3.30 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.38 4.34 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.64 3.82 0.00 1.04 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.17 1.36 7.81 13 Y 7.94 4.67 0.00 2.16 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.15 4.35 0.00 2.74 2.88 0.00 0.00 6.90 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.93 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.04 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.12 0.00 0.00 18 L 8.20 3.94 0.00 1.84 1.82 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.14 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.39 4.35 0.00 4.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.20 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.00 3.87 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.67 4.23 0.00 3.12 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.45 4.06 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.92 3.61 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 27 A 7.97 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.72 3.59 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.69 0.00 0.00 29 W 8.34 3.99 0.00 3.50 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.28 3.67 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.17 4.01 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.22 3.91 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 33 A 8.28 4.72 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.62 4.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 Q 8.05 4.43 0.00 0.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.10 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 36 I 7.76 4.22 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.63 0.00 0.00 37 G 8.29 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.37 3.36 1.58 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.38 -0.35 0.00 0.00 39 E 8.24 4.35 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 40 W 8.80 4.16 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.78 4.17 0.00 2.80 2.86 0.00 0.00 7.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.58 0.00 2.24 2.09 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.34 4.23 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.22 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.48 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.59 4.47 0.00 1.82 1.99 0.00 3.06 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 48 V 7.66 4.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.35 4.28 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 P 0.00 4.40 0.00 2.08 2.04 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.27 4.69 0.00 1.69 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 52 E 8.87 4.03 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 53 W 7.97 4.79 0.00 3.49 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 6.66 3.41 0.00 0.67 1.21 0.00 3.07 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.00